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8,9-Epibotrydial
SpectraBase Compound ID Bi7fLCVrWB
InChI InChI=1S/C17H26O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h7,9-10,12-14,21H,6,8H2,1-5H3/t10-,12+,13+,14+,16+,17+/m1/s1
InChIKey SJFIYVCSGNWVPJ-PQVRDHEWSA-N
Mol Weight 310.39 g/mol
Molecular Formula C17H26O5
Exact Mass 310.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cyymh8VV5BK
Name 8,9-Epibotrydial
Alternate Name(s) (1R,3aR,4S,6R,7S,7aR)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyloctahydro-1H-inden-4-yl acetate Acetic acid[(1R,3aR,4S,6R,7S,7aR)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl]ester [(1R,3aR,4S,6R,7S,7aR)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl]acetate [(1R,3aR,4S,6R,7S,7aR)-1,7-dimethanoyl-1,3,3,6-tetramethyl-7a-oxidanyl-2,3a,4,5,6,7-hexahydroinden-4-yl]ethanoate [(1R,3aR,4S,6R,7S,7aR)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl] acetate [(1R,3aR,4S,6R,7S,7aR)-1,7-dimethanoyl-1,3,3,6-tetramethyl-7a-oxidanyl-2,3a,4,5,6,7-hexahydroinden-4-yl] ethanoate
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Formula C17H26O5
InChI InChI=1S/C17H26O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h7,9-10,12-14,21H,6,8H2,1-5H3/t10-,12+,13+,14+,16+,17+/m1/s1
InChIKey SJFIYVCSGNWVPJ-PQVRDHEWSA-N
Molecular Weight 310.390 g/mol
SMILES O[C@@]12[C@@](CC([C@@]2([C@@](OC(=O)C)(C[C@]([C@@]1(C=O)[H])(C)[H])[H])[H])(C)C)(C=O)C
SPLASH splash10-0690-0960000000-6b9887470c148e25ce97
Source of Spectrum F-55-2398-2
Wiley ID 836962